# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 88.31 10.99 12.52 23.88 113.67 -146.71 -91.64 124.37 99.89 0.09 0.02 99.80 0.09 0.04 0.01 0.00 0.00 0.04 0.02 1 I C C 109.49 4.59 12.15 18.34 115.63 -159.88 -97.49 131.59 91.44 4.18 4.38 85.63 1.56 4.98 2.02 1.49 0.00 2.44 1.88 2 A C C 69.28 6.30 9.80 17.67 112.67 -133.98 -84.86 130.61 91.05 3.75 5.20 62.74 18.33 10.14 1.85 3.12 0.00 2.20 1.61 3 R C C 141.50 5.30 10.61 17.63 113.20 -146.06 -90.50 128.83 91.25 3.57 5.18 68.87 15.34 6.95 2.03 3.01 0.00 1.87 1.92 4 R C C 155.08 4.04 12.05 17.76 105.58 -123.43 -81.42 72.10 91.67 2.54 5.80 46.39 26.19 19.56 2.11 3.27 0.00 1.16 1.31 5 N C C 83.72 7.11 12.65 21.07 110.07 15.14 -104.14 100.93 94.77 1.47 3.76 49.69 31.03 14.27 1.45 2.09 0.00 0.60 0.88 6 P C C 65.19 10.63 12.40 23.85 100.09 -166.76 -72.28 -2.57 81.79 1.29 16.92 50.37 17.74 13.59 7.86 8.93 0.00 0.53 0.98 7 E C C 95.32 6.62 17.01 24.50 101.47 84.64 -73.92 -16.68 60.62 1.05 38.32 36.79 13.10 10.98 14.68 23.35 0.00 0.49 0.60 8 P H G 41.18 13.26 15.88 29.63 95.77 59.54 -65.76 -28.38 30.48 0.64 68.89 14.43 4.16 12.07 15.52 53.22 0.00 0.39 0.21 9 L H G 34.35 18.69 13.47 31.54 93.56 62.08 -72.78 -17.55 16.55 0.27 83.17 4.76 1.97 9.40 14.65 68.94 0.00 0.19 0.08 10 R H G 146.16 4.92 19.26 25.50 91.99 79.43 -65.53 -23.01 27.02 0.24 72.74 2.91 2.81 20.36 11.68 61.99 0.00 0.15 0.09 11 F H G 98.06 9.32 17.05 27.07 94.19 57.99 -84.32 -12.05 42.55 0.40 57.06 3.67 5.02 32.64 6.35 51.87 0.01 0.22 0.22 12 L C S 23.71 20.59 9.36 28.86 118.69 91.05 -91.35 136.77 99.09 0.48 0.43 15.57 83.11 0.50 0.21 0.09 0.00 0.10 0.42 13 P C C 60.10 4.87 16.14 22.41 116.02 -108.85 -66.08 153.49 98.41 0.21 1.38 92.34 4.57 1.61 0.92 0.31 0.00 0.07 0.18 14 D H H 107.09 3.43 13.72 18.75 92.32 -104.17 -59.66 -36.17 30.67 0.22 69.11 6.02 5.61 17.79 47.00 23.27 0.06 0.09 0.16 15 E H H 120.52 2.87 15.78 19.22 91.74 57.87 -66.31 -30.17 19.91 0.13 79.96 2.73 2.12 12.91 55.74 26.34 0.03 0.07 0.06 16 A H H 21.52 15.17 10.79 26.36 92.03 56.76 -68.29 -30.37 10.46 0.11 89.43 2.31 1.31 5.63 58.62 32.03 0.01 0.06 0.03 17 R H H 117.97 9.51 13.94 24.29 92.30 60.79 -70.72 -22.24 22.72 0.21 77.07 3.32 2.85 14.20 52.57 26.78 0.07 0.10 0.12 18 S C T 86.06 1.68 16.83 18.12 95.56 56.68 -89.42 -2.45 51.24 0.51 48.25 8.02 7.68 33.68 26.38 23.45 0.08 0.23 0.48 19 L C S 57.01 12.24 9.42 22.50 118.45 108.02 -78.93 142.55 99.20 0.43 0.36 27.63 71.08 0.55 0.22 0.08 0.00 0.10 0.35 20 P C C 95.07 2.67 17.42 20.45 114.88 -101.47 -67.09 147.30 99.73 0.23 0.04 95.01 4.58 0.17 0.01 0.02 0.00 0.08 0.14 21 P C C 67.82 13.07 12.48 25.57 115.73 -102.07 -67.73 147.16 99.63 0.23 0.14 96.34 3.01 0.31 0.05 0.05 0.00 0.07 0.18 22 P C C 43.59 13.06 13.26 27.06 113.77 -104.87 -68.00 151.11 97.48 0.44 2.07 90.91 4.02 2.69 0.57 1.25 0.00 0.17 0.38 23 K C C 135.69 4.01 18.22 22.98 101.61 -111.88 -70.90 16.66 79.64 1.23 19.12 29.48 23.73 26.56 2.67 16.10 0.00 0.51 0.94 24 L C T 66.20 14.45 12.11 26.11 100.74 71.96 -79.67 -0.94 78.78 2.00 19.22 21.64 21.26 36.45 2.66 15.74 0.01 0.87 1.37 25 T C C 79.08 7.22 15.77 23.89 100.36 69.95 -93.98 4.31 79.57 2.48 17.96 36.80 17.90 24.77 2.88 15.03 0.00 1.09 1.53 26 D C C 49.22 10.12 12.87 24.67 110.26 113.63 -87.77 114.56 96.20 0.98 2.82 68.53 26.00 1.47 2.22 0.60 0.00 0.27 0.91 27 P H H 87.80 4.71 15.49 21.61 92.71 -155.15 -61.97 -31.72 34.55 0.15 65.31 3.78 3.69 26.50 61.31 4.52 0.04 0.06 0.10 28 R H H 126.30 5.05 17.75 23.73 92.19 58.56 -66.60 -33.39 22.45 0.09 77.46 2.44 1.99 17.77 73.47 4.19 0.04 0.04 0.06 29 L H H 24.72 17.45 14.15 31.62 92.48 56.10 -65.66 -39.05 7.70 0.12 92.18 2.45 1.00 4.38 86.51 5.51 0.02 0.08 0.05 30 L H H 63.33 11.27 18.26 29.86 91.99 52.47 -63.85 -40.64 3.37 0.06 96.57 0.88 0.36 2.06 92.80 3.83 0.01 0.04 0.01 31 Y H H 126.76 3.04 23.48 25.65 91.88 50.22 -65.24 -41.58 2.15 0.03 97.82 0.37 0.20 1.46 95.03 2.90 0.00 0.02 0.00 32 I H H 49.70 11.30 20.70 32.44 91.94 49.14 -65.35 -41.71 2.17 0.02 97.81 0.25 0.15 1.66 96.08 1.85 0.01 0.01 0.00 33 G H H 7.89 19.50 17.57 36.86 91.71 51.55 -63.50 -42.41 4.33 0.02 95.66 0.30 0.23 3.78 94.38 1.28 0.01 0.01 0.01 34 F H H 102.70 6.26 24.44 30.79 91.81 49.12 -65.00 -41.69 2.63 0.00 97.36 0.21 0.16 2.12 96.84 0.67 0.00 0.00 0.00 35 L H H 79.51 5.10 25.04 30.29 91.62 49.77 -64.59 -41.99 1.16 0.00 98.83 0.11 0.08 0.85 98.58 0.39 0.00 0.00 0.00 36 G H H 8.36 18.42 19.22 37.53 91.99 50.90 -64.07 -42.51 1.23 0.00 98.77 0.11 0.07 0.90 98.56 0.36 0.00 0.00 0.00 37 Y H H 71.17 15.26 22.94 37.17 91.70 49.27 -63.86 -42.21 1.14 0.00 98.85 0.11 0.07 0.83 98.67 0.33 0.00 0.00 0.00 38 C H H 63.55 4.73 25.90 30.51 91.72 49.73 -64.14 -42.51 0.99 0.00 99.01 0.11 0.06 0.66 98.92 0.24 0.00 0.00 0.00 39 S H H 35.24 8.49 23.70 32.77 91.88 50.61 -64.36 -42.02 0.88 0.00 99.11 0.10 0.06 0.60 98.98 0.26 0.00 0.00 0.00 40 G H H 6.28 19.13 18.76 37.98 91.50 50.68 -63.64 -41.99 0.77 0.00 99.23 0.07 0.05 0.57 99.04 0.28 0.00 0.00 0.00 41 L H H 60.66 11.06 21.89 33.02 91.72 50.05 -64.23 -42.14 0.72 0.00 99.28 0.06 0.04 0.54 99.07 0.28 0.00 0.00 0.00 42 I H H 86.19 3.19 23.93 26.24 91.63 49.33 -63.99 -42.62 0.78 0.00 99.21 0.07 0.06 0.57 99.04 0.26 0.00 0.00 0.00 43 D H H 39.07 9.33 19.02 29.65 91.92 49.70 -64.80 -41.25 1.24 0.00 98.75 0.12 0.10 0.91 98.52 0.35 0.00 0.00 0.00 44 N H H 18.24 14.56 13.33 29.21 91.89 50.50 -64.80 -40.36 2.00 0.00 97.99 0.16 0.13 1.55 97.57 0.59 0.00 0.00 0.00 45 L H H 90.74 5.00 15.95 22.02 92.34 50.25 -65.33 -39.86 3.06 0.00 96.93 0.15 0.16 2.62 96.09 0.97 0.00 0.00 0.00 46 I H H 120.39 2.00 15.69 17.77 92.73 48.44 -68.49 -34.19 11.02 0.02 88.96 0.34 0.64 10.19 87.73 1.05 0.02 0.01 0.01 47 R C T 127.65 4.29 13.15 18.76 95.86 44.58 -93.90 3.17 69.30 0.08 30.62 1.25 4.08 62.48 30.55 1.52 0.01 0.02 0.09 48 R C T 186.21 1.65 14.14 16.71 94.41 -122.83 58.16 39.74 98.40 0.03 1.57 7.34 3.52 87.74 1.17 0.20 0.00 0.01 0.01 49 R C C 93.66 8.13 10.28 20.16 124.33 145.41 -105.10 148.03 99.50 0.40 0.09 80.69 18.52 0.28 0.05 0.03 0.00 0.12 0.31 50 P C C 75.03 3.74 16.05 20.54 111.71 -97.45 -64.61 143.27 99.07 0.45 0.48 96.90 1.79 0.47 0.24 0.11 0.00 0.14 0.35 51 I H H 86.46 11.46 11.13 23.15 92.97 -124.15 -59.99 -35.51 37.11 0.52 62.37 7.72 6.74 21.45 33.88 29.50 0.08 0.23 0.40 52 A H H 76.19 3.36 16.17 20.36 92.13 60.38 -68.08 -26.58 34.98 0.34 64.69 3.62 4.43 24.26 35.33 31.85 0.11 0.16 0.25 53 T H H 77.78 4.33 17.36 22.34 97.48 47.12 -87.59 -12.96 30.24 0.46 69.29 5.83 4.60 17.87 37.61 33.54 0.06 0.22 0.27 54 A H H 22.36 14.77 12.33 27.60 98.41 74.30 -73.54 -26.04 48.04 1.07 50.90 17.70 12.65 18.80 35.60 14.03 0.08 0.42 0.72 55 G C H 24.74 9.46 17.85 28.14 102.96 58.97 -66.32 -33.51 52.87 0.79 46.34 28.57 9.59 15.78 39.79 5.44 0.02 0.29 0.52 56 L H H 81.25 8.23 16.70 25.76 93.59 75.33 -63.82 -40.32 12.70 0.28 87.03 5.50 2.15 5.29 81.60 5.18 0.02 0.16 0.10 57 H H H 114.40 3.23 19.31 22.67 92.30 51.76 -65.52 -39.31 8.07 0.43 91.50 3.48 1.01 3.66 85.06 6.34 0.01 0.35 0.09 58 R H H 92.31 8.66 18.33 27.69 92.37 50.16 -65.93 -39.84 4.82 0.24 94.94 1.67 0.58 2.40 88.86 6.23 0.01 0.20 0.05 59 Q H H 43.62 14.21 15.82 30.43 91.98 51.53 -64.18 -41.68 4.40 0.21 95.39 1.30 0.61 2.36 92.57 2.88 0.05 0.17 0.05 60 L H H 81.53 5.53 19.52 25.74 91.93 50.58 -64.59 -41.36 2.19 0.08 97.73 0.62 0.28 1.20 96.72 1.11 0.00 0.06 0.02 61 L H H 89.31 3.28 20.53 23.53 91.99 49.28 -65.26 -41.40 1.45 0.02 98.52 0.31 0.13 0.91 97.73 0.89 0.00 0.02 0.00 62 Y H H 75.78 10.32 18.13 29.11 92.40 48.46 -66.15 -41.07 1.65 0.02 98.33 0.27 0.13 1.14 97.56 0.89 0.00 0.01 0.00 63 I H H 50.10 12.01 17.22 29.81 92.22 50.00 -64.72 -42.14 1.02 0.01 98.97 0.20 0.09 0.62 98.71 0.37 0.00 0.00 0.00 64 T H H 69.53 3.62 20.69 24.24 91.86 49.85 -64.74 -41.75 0.59 0.00 99.41 0.11 0.05 0.35 99.35 0.15 0.00 0.00 0.00 65 A H H 52.46 4.21 20.29 24.58 91.98 49.25 -64.72 -41.48 0.37 0.00 99.62 0.05 0.02 0.25 99.57 0.11 0.00 0.00 0.00 66 F H H 64.96 11.39 17.61 29.58 92.54 48.99 -65.93 -41.06 0.33 0.00 99.67 0.04 0.02 0.22 99.61 0.10 0.00 0.00 0.00 67 F H H 82.52 9.75 18.24 28.39 92.07 51.39 -64.01 -42.08 0.29 0.00 99.71 0.02 0.01 0.20 99.67 0.09 0.00 0.00 0.00 68 F H H 116.70 2.50 21.75 23.37 91.75 49.06 -64.68 -42.02 0.36 0.00 99.64 0.03 0.02 0.27 99.59 0.09 0.00 0.00 0.00 69 A H H 47.52 5.20 20.34 25.88 91.95 49.38 -64.70 -41.65 0.41 0.00 99.59 0.03 0.02 0.30 99.55 0.09 0.00 0.00 0.00 70 G H H 15.02 12.38 16.56 30.11 92.24 50.93 -64.33 -41.58 0.64 0.00 99.36 0.06 0.03 0.46 99.33 0.11 0.00 0.00 0.00 71 Y H H 99.89 6.75 19.25 26.75 92.19 50.63 -64.39 -41.51 0.38 0.00 99.62 0.03 0.02 0.29 99.57 0.10 0.00 0.00 0.00 72 Y H H 120.42 2.83 20.60 22.84 91.91 50.11 -64.56 -41.86 0.40 0.00 99.60 0.03 0.02 0.31 99.54 0.11 0.00 0.00 0.00 73 L H H 65.04 6.62 18.60 25.98 91.98 49.97 -64.86 -41.57 0.55 0.00 99.45 0.06 0.03 0.39 99.39 0.12 0.00 0.00 0.00 74 V H H 48.46 9.69 16.74 27.53 92.14 50.13 -64.37 -41.47 0.83 0.00 99.17 0.14 0.07 0.55 99.12 0.13 0.00 0.00 0.00 75 K H H 106.90 3.77 19.27 23.34 91.83 50.06 -64.45 -41.07 0.86 0.00 99.13 0.14 0.06 0.56 99.10 0.13 0.00 0.00 0.00 76 R H H 118.95 3.27 19.31 22.47 91.99 49.70 -65.01 -41.47 0.53 0.00 99.47 0.08 0.03 0.34 99.44 0.11 0.00 0.00 0.00 77 E H H 71.79 8.08 17.33 26.30 91.99 49.89 -64.81 -41.11 0.26 0.00 99.74 0.03 0.01 0.16 99.72 0.07 0.00 0.00 0.00 78 D H H 64.95 6.71 17.50 25.20 91.59 50.39 -64.80 -40.57 0.29 0.00 99.71 0.03 0.01 0.19 99.67 0.09 0.00 0.00 0.00 79 Y H H 126.30 2.69 19.42 21.71 91.95 50.23 -64.65 -41.26 0.25 0.00 99.75 0.02 0.01 0.18 99.68 0.11 0.00 0.00 0.00 80 L H H 74.00 4.79 18.84 24.25 92.01 49.60 -64.57 -42.14 0.31 0.00 99.69 0.02 0.01 0.24 99.62 0.11 0.00 0.00 0.00 81 Y H H 85.11 8.13 17.58 26.70 92.31 48.81 -65.14 -40.75 0.91 0.00 99.09 0.06 0.04 0.74 99.01 0.15 0.00 0.00 0.00 82 A H H 42.65 5.02 17.46 23.74 91.72 51.48 -63.82 -41.39 1.11 0.00 98.89 0.11 0.07 0.79 98.90 0.13 0.00 0.00 0.00 83 V H H 78.04 2.59 19.78 21.71 91.94 49.21 -64.62 -41.91 1.31 0.00 98.69 0.12 0.09 0.95 98.74 0.10 0.00 0.00 0.00 84 R H H 94.18 6.64 17.94 25.44 92.02 49.59 -64.57 -41.63 1.01 0.00 98.99 0.09 0.06 0.70 99.09 0.06 0.00 0.00 0.00 85 D H H 54.17 8.39 16.13 25.65 91.89 50.58 -64.27 -41.11 0.83 0.00 99.17 0.18 0.06 0.44 99.27 0.05 0.00 0.00 0.00 86 R H H 133.96 2.41 18.61 20.63 91.89 50.10 -64.72 -40.90 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 87 E H H 103.52 3.07 18.52 21.62 92.07 49.02 -65.44 -40.97 0.19 0.00 99.81 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 88 M H H 62.64 9.47 15.68 26.13 92.19 49.21 -65.15 -40.97 0.27 0.00 99.73 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 89 F H H 95.11 5.83 16.68 23.41 91.75 51.06 -64.08 -40.93 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 90 G H H 32.29 2.47 17.54 20.05 91.59 51.34 -63.25 -41.50 0.36 0.00 99.64 0.04 0.02 0.23 99.67 0.05 0.00 0.00 0.00 91 Y H H 85.02 6.09 15.33 23.03 92.26 50.11 -65.09 -41.25 0.30 0.00 99.70 0.03 0.02 0.20 99.65 0.10 0.00 0.00 0.00 92 M H H 61.63 10.15 12.10 23.40 92.10 50.98 -65.28 -38.46 0.48 0.00 99.51 0.04 0.03 0.35 99.37 0.21 0.00 0.00 0.00 93 K H H 148.01 1.45 15.41 16.61 92.23 50.64 -67.57 -36.29 3.04 0.00 96.96 0.09 0.10 2.87 96.66 0.27 0.00 0.00 0.00 94 L H H 116.62 1.60 14.31 15.66 95.11 43.95 -78.64 -30.91 7.99 0.01 92.00 0.17 0.66 7.19 91.73 0.23 0.01 0.00 0.01 95 H C C 78.42 6.80 10.64 19.36 110.99 24.77 -131.91 68.57 99.79 0.07 0.14 85.11 14.40 0.28 0.07 0.04 0.00 0.02 0.07 96 P H G 72.93 8.20 9.09 19.03 92.99 162.90 -61.88 -30.64 20.17 0.10 79.73 2.83 1.35 12.47 1.11 82.16 0.00 0.06 0.02 97 E H G 159.14 0.77 14.55 14.23 91.53 63.31 -69.88 -19.66 19.72 0.06 80.22 0.63 1.13 15.26 0.92 82.01 0.00 0.03 0.01 98 D H G 90.23 4.22 13.15 18.68 95.24 54.10 -90.88 -7.43 19.62 0.15 80.22 2.05 2.48 12.01 1.04 82.30 0.00 0.09 0.03 99 F C S 51.87 15.70 7.07 21.87 116.99 84.04 -98.58 129.32 98.81 0.35 0.84 24.90 73.48 0.58 0.34 0.27 0.00 0.08 0.36 100 P C C 76.06 4.37 12.87 18.80 114.60 -118.26 -69.16 150.69 98.23 0.28 1.49 94.04 3.16 1.27 0.48 0.74 0.00 0.10 0.21 101 E C C 148.35 2.10 12.18 15.81 111.90 -106.73 -74.83 137.57 96.14 0.52 3.34 86.17 7.41 2.67 1.22 1.88 0.00 0.20 0.46 102 E C C 124.08 5.48 8.66 15.94 115.08 -119.04 -87.68 137.96 96.15 0.52 3.33 76.22 15.19 4.73 1.01 2.20 0.00 0.21 0.44 103 D C C 106.01 3.05 10.67 15.21 113.67 -136.89 -91.57 129.75 97.46 0.59 1.95 75.64 16.97 4.81 0.54 1.38 0.00 0.26 0.39 104 K C C 150.79 2.87 10.13 14.97 112.27 -132.61 -84.87 127.49 97.20 1.62 1.18 87.07 8.32 1.88 0.44 0.63 0.00 0.82 0.84 105 K C C 101.01 6.78 9.40 17.90 120.15 -153.02 -95.69 143.21 95.96 3.35 0.69 92.36 3.46 0.55 0.35 0.24 0.00 1.73 1.30 106 T C C 71.79 3.11 14.54 18.32 120.94 -129.58 -86.26 161.03 77.04 21.96 0.99 71.74 3.57 0.39 0.87 0.20 0.00 5.21 18.01 107 Y H H 121.29 8.39 10.69 20.32 92.00 -107.70 -59.13 -37.74 10.81 0.31 88.88 1.97 1.54 6.46 63.97 25.70 0.07 0.20 0.09 108 G H H 38.35 4.23 12.50 18.27 91.28 57.29 -63.52 -32.40 5.78 0.07 94.15 0.66 0.48 3.93 65.60 29.25 0.01 0.05 0.01 109 E H H 104.92 3.74 13.53 18.44 92.43 55.40 -69.61 -31.43 4.33 0.07 95.60 0.60 0.44 2.79 66.28 29.82 0.01 0.05 0.01 110 I H H 76.91 8.39 11.45 20.83 96.25 48.43 -78.32 -33.23 14.32 0.33 85.36 2.38 2.18 9.15 68.53 17.31 0.14 0.17 0.15 111 F C H 112.88 6.39 11.14 18.69 101.39 45.65 -98.02 0.41 51.56 3.90 44.55 15.93 11.92 25.62 34.07 8.15 0.31 1.42 2.57 112 E C C 110.26 4.49 10.44 16.89 114.89 115.73 -79.16 142.89 86.93 2.90 10.17 55.26 24.30 7.40 6.96 3.27 0.00 1.35 1.45 113 K C C 156.39 1.82 13.03 15.60 111.04 -103.31 -73.60 133.08 88.48 3.41 8.10 60.71 16.57 11.55 3.58 4.16 0.00 2.22 1.22 114 F C C 112.36 9.45 7.26 17.13 115.60 -136.23 -91.98 133.50 89.11 6.88 4.01 69.32 12.33 7.39 1.42 2.54 0.00 4.85 2.15 115 H C C 134.66 2.32 11.88 15.50 117.84 -167.84 -115.09 125.24 86.01 13.58 0.41 69.09 16.15 1.05 0.18 0.27 0.00 10.63 2.63 116 P C C 92.46 5.12 8.35 15.36 113.50 -115.77 -67.95 140.96 82.99 16.24 0.77 71.53 7.94 3.08 0.28 0.53 0.00 12.85 3.78 117 I C C 121.99 3.29 7.63 12.79 112.98 -150.03 -96.78 123.95 91.96 7.58 0.46 90.08 1.11 1.68 0.19 0.16 0.00 4.28 2.51 118 R C C 177.87 2.00 9.96 13.43 111.57 -131.73 -92.72 121.62 99.93 0.07 0.00 99.89 0.05 0.01 0.00 0.00 0.00 0.04 0.00